N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane

C19H26FN3O6 — CID 144673351

IUPACN-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane
SMILESCOC.COCCN(C=O)c1noc2c(F)c(N3CCOC(C)C3)c(C=O)cc12
InChIInChI=1S/C17H20FN3O5.C2H6O/c1-11-8-20(4-6-25-11)15-12(9-22)7-13-16(14(15)18)26-19-17(13)21(10-23)3-5-24-2;1-3-2/h7,9-11H,3-6,8H2,1-2H3;1-2H3
InChIKeyYMXNSODVKFECOF-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.88
Rot. Bonds7

About N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane

N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane (PubChem CID 144673351) has the molecular formula C19H26FN3O6 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane.

Molecular Properties

Compound NameN-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane
PubChem CID144673351
Molecular FormulaC19H26FN3O6
Molecular Weight411.43 g/mol
Exact Mass411.18
IUPAC NameN-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane
SMILESCOC.COCCN(C=O)c1noc2c(F)c(N3CCOC(C)C3)c(C=O)cc12
InChIInChI=1S/C17H20FN3O5.C2H6O/c1-11-8-20(4-6-25-11)15-12(9-22)7-13-16(14(15)18)26-19-17(13)21(10-23)3-5-24-2;1-3-2/h7,9-11H,3-6,8H2,1-2H3;1-2H3
InChIKeyYMXNSODVKFECOF-UHFFFAOYSA-N
XLogP1.88
TPSA94.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1,3-dioxolan-2-yl)-7-fluoro-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methanol
CID 144673413
7-fluoro-3-[5-(hydroxymethyl)-2-oxo-1,3-thiazolidin-3-yl]-6-(2-methylmorpholin-4-yl)-1,2-benzoxazole-5-carbaldehyde
CID 146539127
7-fluoro-6-(2-methylmorpholin-4-yl)-3-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)-1,2-benzoxazole-5-carbaldehyde
CID 146539737
6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(triazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91462461
3-(4,4-difluoropiperidine-1-carbonyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87368803
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde
CID 146499759
3-[5-(1,3-dioxolan-2-yl)-7-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
CID 144673337
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(1-methylpyrazol-4-yl)methylamino]-1,2-benzoxazole-5-carbaldehyde
CID 87369427
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-imidazol-5-ylmethylamino)-1,2-benzoxazole-5-carbaldehyde
CID 87368695
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-5-yl]-1,2-benzoxazole-5-carbaldehyde
CID 87398890
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(methoxymethyl)-1,2-benzoxazole-5-carbaldehyde
CID 123323162
5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde
CID 89141403

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane?
The IUPAC name of N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane (CID 144673351) is N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane.
What is the SMILES notation for N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane?
The canonical SMILES for N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane is COC.COCCN(C=O)c1noc2c(F)c(N3CCOC(C)C3)c(C=O)cc12.
What is the InChIKey of N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane?
The InChIKey is YMXNSODVKFECOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5.C2H6O/c1-11-8-20(4-6-25-11)15-12(9-22)7-13-16(14(15)18)26-19-17(13)21(10-23)3-5-24-2;1-3-2/h7,9-11H,3-6,8H2,1-2H3;1-2H3.
What are the key properties of N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane?
N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane has a molecular weight of 411.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-5-formyl-6-(2-methylmorpholin-4-yl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)formamide;methoxymethane is sourced from PubChem (CID 144673351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).